2-[1-(4-bromophenyl)isoquinolin-5-yl]propanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)isoquinolin-5-yl]propanoic acid Openeye Name: 2-[1-(4-bromophenyl)-5-isoquinolyl]propanoic acid CAS Name: 2-[1-(4-bromophenyl)-5-isoquinolinyl]propanoic acid IUPAC Name: 2-[1-(4-bromophenyl)isoquinolin-5-yl]propanoic acid Traditional Name: 2-[1-(4-bromophenyl)-5-isoquinolyl]propionic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H14BrNO2/c1-11(18(21)22)14-3-2-4-16-15(14)9-10-20-17(16)12-5-7-13(19)8-6-12/h2-11H,1H3,(H,21,22)